The Parallel Asynchronous Differential Evolution Method as a Tool to Analyze Synchrotron Scattering Experimental Data from Vesicular Systems

In this work we use an Asynchronous Differential Evolution (ADE) method to estimate parameters of the Separated Form Factor (SFF) model which is used to investigate a structure of drug delivery Phospholipid Transport Nano System (PTNS) unilamellar vesicles by experimental small angle synchrotron X-ray scattering spectra (SAXS). We compare the efficiency of different optimizing procedures (OP) for the search for the SFF-model parameters. It is shown that the probability to find the global solution of this problem by ADE-methods is significantly higher than that by either Nelder-Mead method or a Quasi-Newton method with Davidon-Fletcher-Powell formula. The parallel realization of ADE accelerates the calculations significantly. The speed-up obtained by the parallel realization of ADE and results of the model are presented.

[1]  Matts Roos,et al.  MINUIT-a system for function minimization and analysis of the parameter errors and correlations , 1984 .

[2]  Mikhail Zhabitsky,et al.  Asynchronous Differential Evolution with Restart , 2012, NAA.

[3]  Roger Fletcher,et al.  A Rapidly Convergent Descent Method for Minimization , 1963, Comput. J..

[4]  R. Storn,et al.  Differential Evolution: A Practical Approach to Global Optimization (Natural Computing Series) , 2005 .

[5]  Mikhail Zhabitsky,et al.  Asynchronous Differential Evolution , 2011, MMCP.

[6]  Rainer Storn,et al.  Differential Evolution – A Simple and Efficient Heuristic for global Optimization over Continuous Spaces , 1997, J. Glob. Optim..

[7]  John A. Nelder,et al.  A Simplex Method for Function Minimization , 1965, Comput. J..

[8]  A. V. Zabelin,et al.  Application of small-angle X-ray scattering to the characterization and quantification of the drug transport nanosystem based on the soybean phosphatidylcholine. , 2015, Journal of pharmaceutical and biomedical analysis.

[9]  Mikhail Zhabitsky,et al.  Asynchronous differential evolution with adaptive correlation matrix , 2013, GECCO '13.

[10]  P. N. Suganthan,et al.  Differential Evolution: A Survey of the State-of-the-Art , 2011, IEEE Transactions on Evolutionary Computation.

[11]  M. Kiselev,et al.  Investigation of the structure of unilamellar dimyristoylphosphatidylcholine vesicles in aqueous sucrose solutions by small-angle neutron and X-ray scattering , 2015 .